CID 43616604

1-(3,4-dihydro-2h-1,4-benzoxazin-4-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C11H11NO2
SMILES
C=CC(=O)N1CCOC2=CC=CC=C21
InChI
InChI=1S/C11H11NO2/c1-2-11(13)12-7-8-14-10-6-4-3-5-9(10)12/h2-6H,1,7-8H2
InChIKey
WUWFOBLSDLFCLG-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzoxazin-4-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.9
[M+Na]+ 212.06820 146.3
[M-H]- 188.07170 142.3
[M+NH4]+ 207.11280 156.8
[M+K]+ 228.04214 144.7
[M+H-H2O]+ 172.07624 132.1
[M+HCOO]- 234.07718 157.5
[M+CH3COO]- 248.09283 181.8
[M+Na-2H]- 210.05365 146.3
[M]+ 189.07843 137.7
[M]- 189.07953 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe